ChemSpider 2D Image | (10R,11R,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-7,8,11,12-tetrahydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one | C22H28O5

(10R,11R,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-7,8,11,12-tetrahydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one

  • Molecular FormulaC22H28O5
  • Average mass372.455 Da
  • Monoisotopic mass372.193665 Da
  • ChemSpider ID58839621

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(10R,11R,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-7,8,11,12-tetrahydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-on [German] [ACD/IUPAC Name]
(10R,11R,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-7,8,11,12-tetrahydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one [ACD/IUPAC Name]
(10R,11R,12S)-12-Hydroxy-6,6,10,11-tétraméthyl-4-propyl-7,8,11,12-tétrahydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromén-2-one [French] [ACD/IUPAC Name]
2H,6H,10H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one, 7,8,11,12-tetrahydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10R,11R,12S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 509.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 173.8±23.6 °C
Index of Refraction: 1.547
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2915.58
ACD/KOC (pH 5.5): 10511.03
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2915.57
ACD/KOC (pH 7.4): 10511.01
Polar Surface Area: 65 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 320.3±3.0 cm3

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